SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3cqf'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 6 ASN A 383
ILE A  55
ASN A  52
SER A 255
 None
 1.25A 1h7xA-3cqfA:
undetectable		 1h7xA-3cqfA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 6 ASN A 383
ILE A  55
ASN A  52
SER A 255
 None
 1.25A 1h7xC-3cqfA:
undetectable		 1h7xC-3cqfA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 5 ARG A 191
SER A 377
ASN A 383
SER A 247
 None
 1.28A 1kiaB-3cqfA:
undetectable		 1kiaB-3cqfA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 6 ARG A 191
SER A 377
ASN A 383
SER A 247
 None
 1.30A 1kiaC-3cqfA:
0.9		 1kiaC-3cqfA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NNF_A_EDTA400_0
(IRON-UTILIZATION
PERIPLASMIC PROTEIN)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 11 GLN A 304
GLU A 196
ALA A 208
LYS A  96
TYR A 200
 None
 1.24A 1nnfA-3cqfA:
0.0		 1nnfA-3cqfA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 10 VAL A 279
LEU A 380
LEU A 142
GLY A 118
ALA A 119
 None
 1.24A 1pxxD-3cqfA:
undetectable		 1pxxD-3cqfA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 6 ARG A 481
TYR A 415
THR A 507
ALA A 508
 None
 1.41A 2ql8A-3cqfA:
undetectable
2ql8B-3cqfA:
undetectable		 2ql8A-3cqfA:
17.69
2ql8B-3cqfA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 12 ILE A 499
ALA A 417
GLN A 418
TRP A 441
ILE A 510
 None
 1.07A 3e00A-3cqfA:
undetectable		 3e00A-3cqfA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FC6_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 11 ILE A 499
ALA A 417
GLN A 418
TRP A 441
ILE A 510
 None
 1.02A 3fc6A-3cqfA:
undetectable		 3fc6A-3cqfA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 5 ASN A 225
ALA A 228
ALA A 226
LYS A 299
 None
 1.11A 3kp2B-3cqfA:
undetectable		 3kp2B-3cqfA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 12 PRO A 372
ARG A 139
ILE A 144
VAL A 246
TYR A 286
 None
 1.37A 3p6gA-3cqfA:
undetectable		 3p6gA-3cqfA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 6 THR A 385
SER A 374
ILE A 242
THR A 378
 None
 0.90A 3q70A-3cqfA:
undetectable		 3q70A-3cqfA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		3 / 3 GLY A 445
SER A 444
TRP A 441
 None
 0.61A 4e7cD-3cqfA:
undetectable		 4e7cD-3cqfA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 8 ALA A 137
GLU A 266
ASP A  50
ILE A  51
ILE A  55
 None
 1.22A 4kttB-3cqfA:
undetectable		 4kttB-3cqfA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		5 / 8 ALA A 137
GLU A 266
ASP A  50
ILE A  51
ILE A  55
 None
 1.23A 4kttD-3cqfA:
undetectable		 4kttD-3cqfA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JQ7_B_T0RB705_2
(ENVELOPE
GLYCOPROTEIN 2)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 7 LEU A 257
THR A 378
THR A 385
LEU A 142
 None
 0.77A 5jq7B-3cqfA:
undetectable		 5jq7B-3cqfA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		3 / 3 THR A 100
SER A 207
ASP A 393
 None
 0.81A 5kvaA-3cqfA:
undetectable		 5kvaA-3cqfA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		3 / 3 THR A 100
SER A 207
ASP A 393
 None
 0.82A 5kvaB-3cqfA:
undetectable		 5kvaB-3cqfA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		4 / 8 SER A 247
THR A 385
THR A 376
SER A 282
 None
 0.97A 5l4eA-3cqfA:
undetectable
5l4eB-3cqfA:
undetectable
5l4eC-3cqfA:
undetectable
5l4eD-3cqfA:
undetectable
5l4eE-3cqfA:
undetectable		 5l4eA-3cqfA:
23.78
5l4eB-3cqfA:
23.78
5l4eC-3cqfA:
23.78
5l4eD-3cqfA:
23.78
5l4eE-3cqfA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BEO_A_DHIA4_0
((DPR)PY(DHI)PKDL(DGN
))		 3cqf THIOL-ACTIVATED
CYTOLYSIN
(Bacillus
anthracis) 		3 / 3 TYR A 116
PRO A 162
LEU A 142
 None
 0.72A 6beoA-3cqfA:
undetectable		 6beoA-3cqfA:
2.72